Molecule

ID:77569

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
InChIKey
DOVNUEPFPBWTSV-UHFFFAOYSA-N
Canonic Smiles
Oc1nccc(c1)OCc1ccccc1
Isomeric Smiles
n1c(cc(cc1)OCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
11.1497965
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6132464
LogD (pH = 7.4)
2.613191
Log P
2.6132674
Molar Refractivity
57.2713
Polarizability
22.141598
Polar Surface Area
42.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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